N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide

C20H18N2O5 — CID 46434217

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H18N2O5/c23-20(17-6-8-18(9-7-17)22(24)25)21-12-15-3-1-4-16(11-15)13-26-14-19-5-2-10-27-19/h1-11H,12-14H2,(H,21,23)
InChIKeyYFKHNDDWXPAFIP-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.83
Rot. Bonds8

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide (PubChem CID 46434217) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
PubChem CID46434217
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H18N2O5/c23-20(17-6-8-18(9-7-17)22(24)25)21-12-15-3-1-4-16(11-15)13-26-14-19-5-2-10-27-19/h1-11H,12-14H2,(H,21,23)
InChIKeyYFKHNDDWXPAFIP-UHFFFAOYSA-N
XLogP3.83
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55660962
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39171548
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide (CID 46434217) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide is O=C(NCc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide?
The InChIKey is YFKHNDDWXPAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-20(17-6-8-18(9-7-17)22(24)25)21-12-15-3-1-4-16(11-15)13-26-14-19-5-2-10-27-19/h1-11H,12-14H2,(H,21,23).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide has a molecular weight of 366.37 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 46434217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).